5-(2-prop-2-ynoxyphenyl)-1,2-oxazole

C12H9NO2 — CID 139221429

IUPAC5-(2-prop-2-ynoxyphenyl)-1,2-oxazole
SMILESC#CCOc1ccccc1-c1ccno1
InChIInChI=1S/C12H9NO2/c1-2-9-14-11-6-4-3-5-10(11)12-7-8-13-15-12/h1,3-8H,9H2
InChIKeyRGANIJFBNVNLJE-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.35
Rot. Bonds3

About 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole

5-(2-prop-2-ynoxyphenyl)-1,2-oxazole (PubChem CID 139221429) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-prop-2-ynoxyphenyl)-1,2-oxazole
PubChem CID139221429
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name5-(2-prop-2-ynoxyphenyl)-1,2-oxazole
SMILESC#CCOc1ccccc1-c1ccno1
InChIInChI=1S/C12H9NO2/c1-2-9-14-11-6-4-3-5-10(11)12-7-8-13-15-12/h1,3-8H,9H2
InChIKeyRGANIJFBNVNLJE-UHFFFAOYSA-N
XLogP2.35
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine
CID 106415025
5-(2-chlorophenyl)-1,2-oxazole
CID 19701661
1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
CID 11089987
9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene
CID 170050137
2-prop-2-ynoxybenzonitrile
CID 11040948
2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
CID 109416531
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
N-methyl-2-prop-2-ynoxyaniline
CID 130693648
5-[2-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]phenyl]-1,2-oxazole
CID 58244056
(2-prop-2-ynoxyphenyl)methanamine;hydrochloride
CID 50988698
1-(2-prop-2-ynoxyphenyl)imidazole
CID 12509101
1-hydroxy-8-prop-2-ynoxyanthracene-9,10-dione
CID 102457087

Frequently Asked Questions

What is the IUPAC name of 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole (CID 139221429) is 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole is C#CCOc1ccccc1-c1ccno1.
What is the InChIKey of 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole?
The InChIKey is RGANIJFBNVNLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-2-9-14-11-6-4-3-5-10(11)12-7-8-13-15-12/h1,3-8H,9H2.
What are the key properties of 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole?
5-(2-prop-2-ynoxyphenyl)-1,2-oxazole has a molecular weight of 199.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-prop-2-ynoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 139221429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).